N-(2-methyl-5-methylsulfonyl-phenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-(2-methyl-5-methylsulfonyl-phenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-(2-methyl-5-methylsulfonyl-phenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-(2-methyl-5-methylsulfonylphenyl)-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-(2-methyl-5-methylsulfonylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(5-mesyl-2-methyl-phenyl)-1-(2-nitrophenyl)isonipecotamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-14-7-8-16(29(2,27)28)13-17(14)21-20(24)15-9-11-22(12-10-15)18-5-3-4-6-19(18)23(25)26/h3-8,13,15H,9-12H2,1-2H3,(H,21,24)